N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H16ClF2N3O3S3 MolecularWeight: 503.993446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Cl

InChI

InChI=1S/C19H16ClF2N3O3S3/c20-13-5-3-11(9-16(13)31(27,28)25-7-1-2-8-25)17(26)24-19-23-14-6-4-12(29-18(21)22)10-15(14)30-19/h3-6,9-10,18H,1-2,7-8H2,(H,23,24,26)